Denagliptin
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Denagliptin
- DrugBank Accession Number
- DB16134
- Background
Denagliptin is under investigation in clinical trial NCT00387972 (Study of Denagliptin in Subjects With Type 2 Diabetes Mellitus (T2DM)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 373.379
Monoisotopic: 373.140196701 - Chemical Formula
- C20H18F3N3O
- Synonyms
- Denagliptin
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- DOS9ZOT21L
- CAS number
- 483369-58-0
- InChI Key
- URRAHSMDPCMOTH-LNLFQRSKSA-N
- InChI
- InChI=1S/C20H18F3N3O/c21-14-5-1-12(2-6-14)18(13-3-7-15(22)8-4-13)19(25)20(27)26-11-16(23)9-17(26)10-24/h1-8,16-19H,9,11,25H2/t16-,17-,19-/m0/s1
- IUPAC Name
- (2S,4S)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]-4-fluoropyrrolidine-2-carbonitrile
- SMILES
- N[C@@H](C(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1)C(=O)N1C[C@@H](F)C[C@H]1C#N
References
- General References
- Not Available
- External Links
- ChemSpider
- 8063427
- ChEMBL
- CHEMBL2110666
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2, 3 Withdrawn Treatment Type 2 Diabetes Mellitus 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.013 mg/mL ALOGPS logP 2.58 ALOGPS logP 2.4 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 19.69 Chemaxon pKa (Strongest Basic) 7.97 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 70.12 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 93.71 m3·mol-1 Chemaxon Polarizability 34.92 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0119000000-3ce1329cc44eb40854d6 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0fka-0948000000-abcd76f4c883ab6f51ba Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00xs-4369000000-7d199b8a33311895167a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-030c-4934000000-615a8c1f02f92a0cea42 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0mi2-3961000000-1f17ec4f7101cda7816f Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0gb9-6491000000-3c4754ab60af987d7c7a Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55